Study of the electronic properties of graphene-based materials
EMSL Project ID
30392
Abstract
The aim of this proposal is to study the electronic structure of graphite, graphene and graphite intercalation compounds (GICs), in order to elucidate the origin of contrast in Scanning Tunneling Microscopy (STM) images of these materials. Our recent work included studies of the STM image of highly-oriented pyrolytic graphite and theoretical computations that led to a new interpretation of the resolution of only half the atoms in STM images of graphite. These findings indicated that the bright elliptical spots observed in trigonal STM images of graphite could be a result of an intrisic π-state close to the Fermi level of graphite, located above alternate carbon-carbon bonds. STM experiments excluded the possibility that the elliptical shape of the maxima observed in the image is a tip artifact. Simulated STM images were obtained using supercells of hexagonal and orthorhombic symmetry, the later being in excellent agreement with experimental images. Our current research efforts focus on the simulation and interpretation of graphite images obtained over GICs. We expect to provide new assignment of the carbon positions in the lattice with respect to experimental images supported by the simulations we propose to perform at your supercomputing facility.
Project Details
Project type
Exploratory Research
Start Date
2008-11-12
End Date
2009-11-15
Status
Closed
Released Data Link
Team
Principal Investigator
Related Publications
Zeinalipour-Yazdi C, and C Christofides. 2009. "Linear Correlation Between Binding Energy and Young’s Modulus in Graphene Nanoribbons." Journal of Applied Physics 106(5):054318. doi:10.1063/1.3211944
Zeinalipour-Yazdi C, and DP Pullman. 2008. "A new interpretation of the scanning tunneling microscope image of graphite." Chemical Physics 348(1-3):233-236. doi:doi:10.1016/j.chemphys.2008.03.019
Zeinalipour-Yazdi C, and RA van Santen, ER Vorpagel, EZ Loizidou, 2009. "Effect of triphosphate protonation on the aqueous phase structure and kinetics of binding of nucleotide inhibitors." Journal of Physical Chemistry.